4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine

C15H12F3NO — CID 165409358

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2cccc3c2OCCC3)ccn1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-9-11(6-7-19-13)12-5-1-3-10-4-2-8-20-14(10)12/h1,3,5-7,9H,2,4,8H2
InChIKeyBAJCJHPSZUHJOW-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.09
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine

4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine (PubChem CID 165409358) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
PubChem CID165409358
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2cccc3c2OCCC3)ccn1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-9-11(6-7-19-13)12-5-1-3-10-4-2-8-20-14(10)12/h1,3,5-7,9H,2,4,8H2
InChIKeyBAJCJHPSZUHJOW-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
[(4R)-8-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
CID 174232188
[(1R)-5-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496743
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
CID 70322575
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
CID 114747360
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
3-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746382
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine (CID 165409358) is 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2cccc3c2OCCC3)ccn1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is BAJCJHPSZUHJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)13-9-11(6-7-19-13)12-5-1-3-10-4-2-8-20-14(10)12/h1,3,5-7,9H,2,4,8H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine?
4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 279.26 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 165409358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).